#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kg5 n MET 21 N 0.00 0.46 -2.03 -0.41 2.00 -1.26 -4.38 117.12 111.50 2kg5 n MET 21 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 57.70 57.50 2kg5 n MET 21 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 33.22 32.27 2kg5 n MET 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kg5 n ALA 22 N -2.22 -0.48 -3.54 3.04 0.00 -1.26 -4.64 120.51 111.40 2kg5 n ALA 22 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 2kg5 n ALA 22 Cb 0.40 -2.07 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 2kg5 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 s ALA 23 N -2.87 -1.92 0.22 0.00 0.00 -1.26 -5.08 121.76 110.85 2kg5 s ALA 23 Ca 0.00 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 2kg5 s ALA 23 Cb 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 2kg5 s ALA 23 CO 0.00 -0.61 1.29 -1.25 0.00 0.00 0.00 175.76 175.19 2kg5 s PRO 24 N -2.64 4.41 0.48 0.00 0.04 -1.26 -4.92 135.00 131.11 2kg5 s PRO 24 Ca 0.06 2.05 0.21 0.00 0.04 0.00 0.00 61.00 63.36 2kg5 s PRO 24 Cb -0.01 -3.18 1.23 0.00 0.04 0.00 0.00 34.50 32.59 2kg5 s PRO 24 CO -0.06 -0.21 2.03 -0.56 0.04 0.00 0.00 177.00 178.24 2kg5 h GLN 25 N 5.00 0.00 -1.84 4.56 3.07 -1.99 -2.90 115.11 121.02 2kg5 h GLN 25 Ca -0.45 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 57.82 2kg5 h GLN 25 Cb 1.22 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.60 2kg5 h GLN 25 CO 0.75 0.16 0.43 -0.25 0.09 0.00 0.00 178.83 180.00 2kg5 n ASP 26 N -3.95 6.54 -4.50 0.06 9.92 -1.26 -3.15 116.55 120.20 2kg5 n ASP 26 Ca -0.02 -3.20 -0.38 0.00 -0.53 0.00 0.00 54.79 50.65 2kg5 n ASP 26 Cb 0.25 -1.17 -0.11 0.00 -0.64 0.00 0.00 41.12 39.44 2kg5 n ASP 26 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kg5 s LEU 27 N -2.18 4.00 0.16 0.64 2.96 -1.10 -5.03 118.68 118.14 2kg5 s LEU 27 Ca 0.52 -0.27 -0.33 0.00 -0.22 0.00 0.00 54.13 53.82 2kg5 s LEU 27 Cb 0.35 -2.04 -0.16 0.00 0.50 0.00 0.00 46.19 44.84 2kg5 s LEU 27 CO -0.16 -0.12 1.12 -0.67 -1.32 0.00 0.00 176.35 175.19 2kg5 n ASP 28 N 5.01 1.09 0.33 3.68 2.03 -1.26 -1.70 116.55 125.73 2kg5 n ASP 28 Ca -0.14 1.14 0.21 0.00 0.52 0.00 0.00 54.79 56.52 2kg5 n ASP 28 Cb 0.51 -1.18 1.13 0.00 -0.72 0.00 0.00 41.12 40.86 2kg5 n ASP 28 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2kg5 h ILE 29 N 2.58 0.04 -0.02 5.18 6.09 -0.76 -0.47 117.51 130.15 2kg5 h ILE 29 Ca -0.43 0.00 -0.21 0.00 -1.37 0.00 0.00 64.86 62.85 2kg5 h ILE 29 Cb 1.36 0.94 -0.00 0.00 0.47 0.00 0.00 36.82 39.58 2kg5 h ILE 29 CO 0.69 0.00 -0.88 0.00 -3.07 0.00 0.00 178.15 174.89 2kg5 h ALA 30 N 1.88 0.45 0.00 0.18 0.00 -1.85 -2.84 119.26 117.08 2kg5 h ALA 30 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2kg5 h ALA 30 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kg5 h ALA 30 CO -0.00 0.82 -0.34 0.28 0.00 0.00 0.00 179.25 180.01 2kg5 h VAL 31 N 0.21 0.72 0.07 0.00 2.07 -1.43 -1.53 116.25 116.37 2kg5 h VAL 31 Ca -0.06 -1.56 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 2kg5 h VAL 31 Cb 1.50 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2kg5 h VAL 31 CO 0.15 0.34 -0.03 -0.25 0.02 0.00 0.00 177.57 177.79 2kg5 h TRP 32 N 0.00 -0.08 0.00 1.57 7.01 -1.47 -3.29 115.95 119.69 2kg5 h TRP 32 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2kg5 h TRP 32 Cb 0.99 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.07 2kg5 h TRP 32 CO 0.00 0.50 -0.20 -0.07 -2.79 0.00 0.00 178.44 175.88 2kg5 h LEU 33 N -0.86 0.00 -2.52 0.65 3.38 -1.57 -2.71 115.31 111.68 2kg5 h LEU 33 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kg5 h LEU 33 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kg5 h LEU 33 CO 0.01 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2kg5 h ALA 34 N 1.80 1.00 0.00 1.53 0.00 -1.34 -0.90 119.26 121.34 2kg5 h ALA 34 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kg5 h ALA 34 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kg5 h ALA 34 CO 0.03 0.00 -0.19 1.79 0.00 0.00 0.00 179.25 180.87 2kg5 h THR 35 N 0.00 0.59 -0.18 0.00 1.35 -1.57 -2.72 112.91 110.38 2kg5 h THR 35 Ca 0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2kg5 h THR 35 Cb 0.11 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2kg5 h THR 35 CO 0.00 0.19 0.00 1.33 -0.25 0.00 0.00 175.52 176.79 2kg5 n VAL 36 N -3.52 1.57 -3.33 6.82 0.24 -0.46 -4.97 118.33 114.67 2kg5 n VAL 36 Ca -0.01 -1.51 -0.18 0.00 -2.04 0.00 0.00 64.34 60.60 2kg5 n VAL 36 Cb 0.35 0.13 0.07 0.00 -1.47 0.00 0.00 33.84 32.91 2kg5 n VAL 36 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2kg5 n HIS 37 N -0.38 -2.20 -2.17 6.34 -0.00 -1.03 -4.91 115.22 110.87 2kg5 n HIS 37 Ca 0.13 0.81 0.02 0.00 -0.00 0.00 0.00 57.72 58.68 2kg5 n HIS 37 Cb 0.58 -4.34 0.01 0.00 -0.00 0.00 0.00 29.99 26.24 2kg5 n HIS 37 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2kg5 n LEU 38 N -3.99 0.50 0.21 0.27 4.77 -0.49 -4.86 117.00 113.40 2kg5 n LEU 38 Ca -0.06 -1.49 0.18 0.00 -0.03 0.00 0.00 56.01 54.61 2kg5 n LEU 38 Cb 0.57 -0.02 0.84 0.00 -2.33 0.00 0.00 43.42 42.48 2kg5 n LEU 38 CO 0.52 0.38 1.15 1.05 -1.33 0.00 0.00 177.39 179.16 2kg5 h GLU 39 N 0.42 0.00 -0.11 3.23 4.11 -1.78 0.20 114.58 120.64 2kg5 h GLU 39 Ca -0.09 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.37 2kg5 h GLU 39 Cb 1.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.83 2kg5 h GLU 39 CO 0.04 0.00 0.13 -0.56 0.07 0.00 0.00 179.01 178.69 2kg5 h GLN 40 N 0.00 0.00 0.00 1.06 3.07 -1.90 0.26 115.11 117.60 2kg5 h GLN 40 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2kg5 h GLN 40 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 2kg5 h GLN 40 CO -0.00 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.58 2kg5 n TYR 41 N -3.81 0.00 0.19 0.06 4.01 0.06 -3.18 117.16 114.49 2kg5 n TYR 41 Ca -0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 2kg5 n TYR 41 Cb 0.24 -0.48 0.74 0.00 -0.31 0.00 0.00 39.34 39.52 2kg5 n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kg5 h ALA 42 N 2.76 2.00 0.20 -0.72 0.00 -0.64 -2.73 119.26 120.13 2kg5 h ALA 42 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kg5 h ALA 42 Cb 0.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kg5 h ALA 42 CO 0.00 -0.22 -0.15 0.22 0.00 0.00 0.00 179.25 179.10 2kg5 h ASP 43 N 0.00 -0.40 -0.65 0.00 1.82 -1.75 0.76 116.42 116.21 2kg5 h ASP 43 Ca 0.08 0.03 0.15 0.00 -0.39 0.00 0.00 57.03 56.90 2kg5 h ASP 43 Cb 0.35 0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 2kg5 h ASP 43 CO -0.00 -0.21 0.45 0.00 -1.61 0.00 0.00 179.24 177.86 2kg5 h THR 44 N -0.33 0.77 0.25 2.25 1.03 -1.79 -1.79 112.91 113.29 2kg5 h THR 44 Ca -0.03 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2kg5 h THR 44 Cb 0.28 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 67.89 2kg5 h THR 44 CO 0.01 0.04 -0.12 -0.26 -0.01 0.00 0.00 175.52 175.18 2kg5 h PHE 45 N 0.22 -0.31 -0.54 0.00 -1.00 -1.17 -2.28 116.94 111.87 2kg5 h PHE 45 Ca 0.31 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.13 2kg5 h PHE 45 Cb 0.93 0.10 -0.04 0.00 3.61 0.00 0.00 35.95 40.55 2kg5 h PHE 45 CO -0.00 -0.03 0.29 0.00 -1.61 0.00 0.00 178.31 176.96 2kg5 h ARG 46 N -0.56 0.55 0.00 1.51 3.08 -0.07 0.32 114.38 119.21 2kg5 h ARG 46 Ca -0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2kg5 h ARG 46 Cb 0.41 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2kg5 h ARG 46 CO 0.06 0.36 0.00 -0.09 -1.07 0.00 0.00 179.97 179.23 2kg5 h ARG 47 N 0.56 0.00 -0.00 0.04 9.65 -1.32 -0.05 114.38 123.26 2kg5 h ARG 47 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2kg5 h ARG 47 Cb 0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2kg5 h ARG 47 CO -0.15 0.00 -0.20 1.58 2.80 0.00 0.00 179.97 184.01 2kg5 n HIS 48 N -2.44 0.00 -0.02 2.20 -0.00 0.08 -4.90 115.22 110.14 2kg5 n HIS 48 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kg5 n HIS 48 Cb 0.12 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 2kg5 n HIS 48 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kg5 n GLY 49 N 1.35 0.99 2.51 1.57 0.00 -0.04 -5.06 105.19 106.51 2kg5 n GLY 49 Ca 0.12 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2kg5 n GLY 49 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kg5 s LEU 50 N 0.00 0.89 -0.05 0.99 2.34 -1.06 -4.94 118.68 116.84 2kg5 s LEU 50 Ca 0.00 -1.84 0.21 0.00 0.06 0.00 0.00 54.13 52.56 2kg5 s LEU 50 Cb 0.00 -0.41 0.68 0.00 -0.56 0.00 0.00 46.19 45.91 2kg5 s LEU 50 CO 0.00 -0.36 1.58 0.00 -1.06 0.00 0.00 176.35 176.51 2kg5 n ALA 51 N 4.51 2.70 -3.01 1.48 0.00 -1.26 -3.01 120.51 121.92 2kg5 n ALA 51 Ca 0.05 -1.44 -0.11 0.00 0.00 0.00 0.00 53.44 51.94 2kg5 n ALA 51 Cb 0.39 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 2kg5 n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kg5 s THR 52 N -1.39 0.10 0.59 0.00 -4.23 -1.26 -0.05 115.64 109.40 2kg5 s THR 52 Ca 0.50 -0.79 0.40 0.00 -1.18 0.00 0.00 61.69 60.62 2kg5 s THR 52 Cb 0.29 -0.58 0.42 0.00 1.34 0.00 0.00 72.50 73.97 2kg5 s THR 52 CO 0.30 -0.43 2.30 0.00 -0.54 0.00 0.00 174.62 176.24 2kg5 h ALA 53 N 4.05 1.12 0.00 3.99 0.00 -1.53 -0.77 119.26 126.13 2kg5 h ALA 53 Ca -0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kg5 h ALA 53 Cb 1.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2kg5 h ALA 53 CO 0.43 0.01 -0.52 0.78 0.00 0.00 0.00 179.25 179.95 2kg5 h GLY 54 N 0.23 0.00 -0.59 0.00 0.00 -1.81 -2.60 103.07 98.30 2kg5 h GLY 54 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kg5 h GLY 54 CO 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.20 2kg5 n ALA 55 N -2.18 3.27 0.17 3.60 0.00 -0.34 -4.08 120.51 120.95 2kg5 n ALA 55 Ca 0.01 -0.55 0.04 0.00 0.00 0.00 0.00 53.44 52.94 2kg5 n ALA 55 Cb 0.61 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 2kg5 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kg5 n ALA 56 N -0.15 2.67 -1.48 0.00 0.00 -0.91 -4.69 120.51 115.95 2kg5 n ALA 56 Ca 0.11 -0.22 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 2kg5 n ALA 56 Cb 0.43 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.49 2kg5 n ALA 56 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kg5 n ARG 57 N -1.55 0.73 0.00 0.00 -4.01 -0.98 -1.53 116.66 109.33 2kg5 n ARG 57 Ca -0.00 0.11 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 2kg5 n ARG 57 Cb 0.19 -2.46 0.00 0.00 -3.04 0.00 0.00 32.46 27.15 2kg5 n ARG 57 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2kg5 n GLY 58 N 6.41 1.08 3.68 2.89 0.00 -1.26 -5.07 105.19 112.91 2kg5 n GLY 58 Ca 0.47 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.09 2kg5 n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kg5 n LEU 59 N 0.00 3.98 -4.59 0.99 4.77 -0.58 -5.02 117.00 116.55 2kg5 n LEU 59 Ca 0.00 1.01 -0.27 0.00 -0.03 0.00 0.00 56.01 56.72 2kg5 n LEU 59 Cb 0.00 -1.47 -0.09 0.00 -2.33 0.00 0.00 43.42 39.54 2kg5 n LEU 59 CO 0.00 -1.02 -0.24 -0.83 -1.33 0.00 0.00 177.39 173.96 2kg5 s GLY 60 N -0.78 2.62 0.15 -0.72 0.00 -1.26 -5.00 107.32 102.33 2kg5 s GLY 60 Ca 0.66 -1.29 -0.18 0.00 0.00 0.00 0.00 44.72 43.91 2kg5 s GLY 60 CO 0.54 -1.98 1.69 0.45 0.00 0.00 0.00 173.10 173.80 2kg5 h HIS 61 N 1.72 -0.14 -0.44 1.90 3.86 -1.96 0.28 115.15 120.38 2kg5 h HIS 61 Ca -0.40 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 58.86 2kg5 h HIS 61 Cb 1.28 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.83 2kg5 h HIS 61 CO 1.21 -0.12 0.29 1.49 0.86 0.00 0.00 177.93 181.66 2kg5 h GLU 62 N 0.01 0.46 0.02 2.45 4.81 -2.01 -1.37 114.58 118.96 2kg5 h GLU 62 Ca 0.15 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.14 2kg5 h GLU 62 Cb 0.23 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2kg5 h GLU 62 CO -0.31 0.31 -0.93 0.93 -0.73 0.00 0.00 179.01 178.28 2kg5 h GLU 63 N 0.48 0.22 0.00 1.92 4.39 -1.52 -3.18 114.58 116.88 2kg5 h GLU 63 Ca 0.18 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 2kg5 h GLU 63 Cb 0.11 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2kg5 h GLU 63 CO -0.04 1.00 -0.37 -0.07 -1.16 0.00 0.00 179.01 178.37 2kg5 h LEU 64 N 0.11 0.00 -0.62 1.33 -0.00 0.55 -2.37 115.31 114.31 2kg5 h LEU 64 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.79 2kg5 h LEU 64 Cb 1.57 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.21 2kg5 h LEU 64 CO 0.14 0.37 0.24 0.11 -0.00 0.00 0.00 178.44 179.30 2kg5 h LYS 65 N 0.00 0.94 0.00 1.13 1.57 -1.33 -2.21 116.57 116.67 2kg5 h LYS 65 Ca -0.00 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2kg5 h LYS 65 Cb 0.71 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.87 2kg5 h LYS 65 CO 0.05 0.80 -0.11 1.04 -0.57 0.00 0.00 179.45 180.66 2kg5 n GLN 66 N -4.43 0.12 0.23 3.15 6.02 -1.12 -3.34 117.38 118.02 2kg5 n GLN 66 Ca 0.04 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 2kg5 n GLN 66 Cb 0.18 -1.63 0.50 0.00 1.02 0.00 0.00 30.24 30.31 2kg5 n GLN 66 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2kg5 h LEU 67 N 0.00 0.00 0.00 1.08 3.38 -0.86 -3.46 115.31 115.45 2kg5 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kg5 h LEU 67 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2kg5 h LEU 67 CO 0.00 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 2kg5 n GLY 68 N 0.14 1.49 3.76 0.83 0.00 -1.20 -4.91 105.19 105.30 2kg5 n GLY 68 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2kg5 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kg5 s ILE 69 N -1.78 4.57 0.00 -0.61 1.01 -1.14 -4.98 121.20 118.28 2kg5 s ILE 69 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.19 2kg5 s ILE 69 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.39 2kg5 s ILE 69 CO 0.00 0.35 0.78 -1.20 0.00 0.00 0.00 174.94 174.87 2kg5 n SER 70 N 1.23 -0.52 0.06 3.58 7.64 -1.26 -4.46 113.62 119.88 2kg5 n SER 70 Ca -0.13 -1.55 0.11 0.00 1.01 0.00 0.00 58.87 58.31 2kg5 n SER 70 Cb 0.53 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.84 2kg5 n SER 70 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kg5 n ALA 71 N 0.00 2.74 0.00 -0.43 0.00 -1.26 -4.98 120.51 116.58 2kg5 n ALA 71 Ca -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2kg5 n ALA 71 Cb 0.61 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2kg5 n ALA 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2kg5 n THR 72 N -2.45 0.00 -0.14 0.00 -1.04 -1.26 -4.27 114.28 105.12 2kg5 n THR 72 Ca -0.01 0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.25 2kg5 n THR 72 Cb 0.54 0.00 0.68 0.00 -1.82 0.00 0.00 70.33 69.73 2kg5 n THR 72 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2kg5 h GLY 73 N 0.00 0.14 1.33 3.41 0.00 -2.00 0.19 103.07 106.14 2kg5 h GLY 73 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 47.33 46.99 2kg5 h GLY 73 CO 0.00 -0.00 -1.45 0.45 0.00 0.00 0.00 176.54 175.54 2kg5 h HIS 74 N 0.07 0.68 0.18 5.60 -0.00 -1.99 -3.18 115.15 116.50 2kg5 h HIS 74 Ca 0.39 -0.49 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 2kg5 h HIS 74 Cb 1.45 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.82 2kg5 h HIS 74 CO -0.00 1.45 -0.17 -0.09 -0.00 0.00 0.00 177.93 179.11 2kg5 h ARG 75 N 0.10 -0.37 0.00 2.45 2.43 -1.32 -1.09 114.38 116.59 2kg5 h ARG 75 Ca -0.23 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2kg5 h ARG 75 Cb 2.07 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 31.70 2kg5 h ARG 75 CO 0.22 -0.25 0.00 0.87 -1.51 0.00 0.00 179.97 179.30 2kg5 h LYS 76 N -0.38 0.00 0.00 0.20 1.57 -1.52 -1.63 116.57 114.81 2kg5 h LYS 76 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2kg5 h LYS 76 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2kg5 h LYS 76 CO -0.04 0.00 -0.44 -0.09 -0.57 0.00 0.00 179.45 178.31 2kg5 h ARG 77 N 0.00 0.00 0.00 3.15 2.43 -1.18 -2.80 114.38 115.98 2kg5 h ARG 77 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2kg5 h ARG 77 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2kg5 h ARG 77 CO 0.00 0.44 -0.55 0.82 -1.51 0.00 0.00 179.97 179.17 2kg5 h ILE 78 N 0.00 0.32 -0.71 1.20 5.03 -0.91 -3.35 117.51 119.10 2kg5 h ILE 78 Ca -0.00 -1.35 0.13 0.00 -0.12 0.00 0.00 64.86 63.52 2kg5 h ILE 78 Cb 1.27 0.71 -0.05 0.00 -3.03 0.00 0.00 36.82 35.72 2kg5 h ILE 78 CO 0.06 0.11 0.47 -0.07 -0.68 0.00 0.00 178.15 178.04 2kg5 h LEU 79 N -1.00 0.38 -2.31 1.44 3.38 -1.64 0.28 115.31 115.84 2kg5 h LEU 79 Ca -0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2kg5 h LEU 79 Cb 0.62 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kg5 h LEU 79 CO -0.05 0.21 -0.04 -0.09 0.09 0.00 0.00 178.44 178.56 2kg5 h ARG 80 N 0.41 0.00 0.02 1.13 9.65 -1.66 -2.22 114.38 121.70 2kg5 h ARG 80 Ca 0.34 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.89 2kg5 h ARG 80 Cb 0.76 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.29 2kg5 h ARG 80 CO -0.10 0.04 -2.01 -0.11 2.80 0.00 0.00 179.97 180.59 2kg5 n LEU 81 N -3.40 1.00 0.16 3.80 7.94 0.90 -4.16 117.00 123.25 2kg5 n LEU 81 Ca -0.02 0.22 0.02 0.00 -1.11 0.00 0.00 56.01 55.13 2kg5 n LEU 81 Cb 0.16 0.02 0.38 0.00 0.53 0.00 0.00 43.42 44.52 2kg5 n LEU 81 CO 0.26 0.52 0.81 0.25 -1.11 0.00 0.00 177.39 178.12 2kg5 h LEU 82 N 0.01 0.11 -2.65 -1.96 6.46 -0.76 -2.12 115.31 114.40 2kg5 h LEU 82 Ca -0.40 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2kg5 h LEU 82 Cb 2.08 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.98 2kg5 h LEU 82 CO 0.05 0.37 0.05 1.56 -0.62 0.00 0.00 178.44 179.84 2kg5 h GLN 83 N 0.11 0.00 -6.41 1.25 4.20 -1.58 -3.44 115.11 109.24 2kg5 h GLN 83 Ca 0.02 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.11 2kg5 h GLN 83 Cb 0.50 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.38 2kg5 h GLN 83 CO 0.04 0.00 0.19 -2.37 -0.67 0.00 0.00 178.83 176.01 2kg5 n THR 84 N -2.94 1.53 0.00 -0.54 5.66 -0.80 -4.06 114.28 113.13 2kg5 n THR 84 Ca -0.03 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 2kg5 n THR 84 Cb 0.11 -0.93 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 2kg5 n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kg5 n GLY 85 N 1.60 2.47 0.09 1.09 0.00 -1.26 -4.54 105.19 104.64 2kg5 n GLY 85 Ca 0.12 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 2kg5 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kg5 h THR 86 N 0.00 0.72 -1.49 2.61 1.03 -1.83 -0.76 112.91 113.19 2kg5 h THR 86 Ca 0.00 -2.39 -0.55 0.00 -0.01 0.00 0.00 66.41 63.46 2kg5 h THR 86 Cb 0.00 2.26 -0.07 0.00 -1.07 0.00 0.00 68.15 69.27 2kg5 h THR 86 CO 0.00 0.41 -0.45 -1.83 -0.01 0.00 0.00 175.52 173.64 2kg5 s GLU 87 N -2.77 2.32 0.19 0.00 -1.05 -1.26 -5.00 118.70 111.13 2kg5 s GLU 87 Ca -0.03 -1.77 -0.33 0.00 -0.15 0.00 0.00 54.97 52.69 2kg5 s GLU 87 Cb 0.08 -2.10 -0.15 0.00 -0.44 0.00 0.00 34.13 31.52 2kg5 s GLU 87 CO 0.82 -0.17 1.33 0.39 0.95 0.00 0.00 175.26 178.57 2kg5 n GLU 88 N -1.37 1.64 -3.39 -4.83 -0.58 -1.26 -4.87 120.64 105.99 2kg5 n GLU 88 Ca 0.00 0.59 -0.44 0.00 -0.42 0.00 0.00 57.16 56.89 2kg5 n GLU 88 Cb 0.64 -2.19 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 2kg5 n GLU 88 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2kg5 s GLY 89 N 0.27 3.08 0.95 0.62 0.00 -1.26 -4.88 107.32 106.10 2kg5 s GLY 89 Ca 0.73 -3.73 -0.15 0.00 0.00 0.00 0.00 44.72 41.56 2kg5 s GLY 89 CO 0.49 1.29 1.27 -0.45 0.00 0.00 0.00 173.10 175.70 2kg5 s SER 90 N 1.25 3.25 0.00 1.64 0.15 -1.26 -5.03 113.70 113.69 2kg5 s SER 90 Ca 0.27 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2kg5 s SER 90 Cb -0.10 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2kg5 s SER 90 CO -0.09 -2.66 0.00 0.00 1.20 0.00 0.00 173.24 171.69 2kg5 n LEU 91 N -3.75 1.25 -3.65 3.45 -0.00 -1.26 -5.10 117.00 107.94 2kg5 n LEU 91 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.04 2kg5 n LEU 91 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.97 2kg5 n LEU 91 CO 0.49 0.21 0.14 1.51 -0.00 0.00 0.00 177.39 179.73 2kg5 s ASP 92 N -3.36 -0.20 0.18 1.45 1.47 -1.26 -5.01 116.67 109.94 2kg5 s ASP 92 Ca 0.00 -0.35 -0.30 0.00 1.18 0.00 0.00 52.55 53.08 2kg5 s ASP 92 Cb 0.00 0.46 -0.09 0.00 -0.34 0.00 0.00 42.92 42.96 2kg5 s ASP 92 CO 0.00 -0.85 1.31 -2.16 0.68 0.00 0.00 175.17 174.16 2kg5 s PRO 93 N -3.81 4.38 -0.69 2.11 0.04 -1.26 -4.97 135.00 130.80 2kg5 s PRO 93 Ca 0.03 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 2kg5 s PRO 93 Cb 0.02 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.42 2kg5 s PRO 93 CO -0.12 -0.27 1.06 0.15 0.04 0.00 0.00 177.00 177.86 2kg5 s LYS 94 N 0.07 3.15 -0.21 4.56 -0.14 -1.26 -4.59 119.74 121.32 2kg5 s LYS 94 Ca 0.58 -0.72 -0.09 0.00 -1.36 0.00 0.00 55.97 54.38 2kg5 s LYS 94 Cb -0.36 -4.25 0.03 0.00 -1.68 0.00 0.00 37.83 31.57 2kg5 s LYS 94 CO 0.37 -1.91 0.17 0.43 -0.76 0.00 0.00 175.35 173.65 2kg5 n SER 95 N 8.12 -2.47 -0.95 2.83 7.64 -1.26 -4.99 113.62 122.54 2kg5 n SER 95 Ca -0.01 1.31 0.05 0.00 1.01 0.00 0.00 58.87 61.23 2kg5 n SER 95 Cb 0.46 -5.10 0.10 0.00 -1.01 0.00 0.00 64.21 58.67 2kg5 n SER 95 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kg5 n ASP 96 N 1.35 1.31 -3.63 6.43 2.03 -1.26 -5.06 116.55 117.72 2kg5 n ASP 96 Ca -0.29 -2.86 -0.14 0.00 0.52 0.00 0.00 54.79 52.02 2kg5 n ASP 96 Cb 0.45 -0.40 -0.06 0.00 -0.72 0.00 0.00 41.12 40.40 2kg5 n ASP 96 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2kg5 s SER 97 N -2.49 -0.36 -0.05 1.67 0.15 -1.26 -5.06 113.70 106.30 2kg5 s SER 97 Ca 0.33 0.11 0.04 0.00 0.70 0.00 0.00 55.95 57.14 2kg5 s SER 97 Cb 0.34 0.45 -0.06 0.00 -1.71 0.00 0.00 66.02 65.04 2kg5 s SER 97 CO -0.10 -0.67 0.02 0.00 1.20 0.00 0.00 173.24 173.69 2kg5 n ALA 98 N 0.54 1.90 -3.63 5.45 0.00 -1.26 -5.10 120.51 118.40 2kg5 n ALA 98 Ca -0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 2kg5 n ALA 98 Cb 0.60 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.16 2kg5 n ALA 98 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kg5 s MET 99 N -2.13 0.65 0.00 0.00 -1.94 -1.26 -5.31 119.30 109.31 2kg5 s MET 99 Ca -0.02 -0.33 0.17 0.00 -1.71 0.00 0.00 55.69 53.80 2kg5 s MET 99 Cb 0.02 0.24 1.00 0.00 2.01 0.00 0.00 34.83 38.10 2kg5 s MET 99 CO 0.20 -0.30 1.40 -1.91 -0.01 0.00 0.00 175.02 174.41